Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | NOS1 | P29475 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.43 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.41 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27829415 | 0.89 | HRH3 (0.54) | NCF1HTTKDM4EALDH1A1HPGD | |
| SCHEMBL62595 | 0.87 | HRH3 (0.53) | NCF1HTTKDM4EALDH1A1HPGD | |
| SCHEMBL27729376 | 0.85 | HRH3 (0.51) | NCF1HTTKDM4EALDH1A1HPGD | |
| SCHEMBL28790869 | 0.83 | SIGMAR1 (0.51) | HRH3BRD4CXCR4PRMT6SIGMAR1 | |
| SCHEMBL3149449 | 0.83 | NCF1 (0.55) | NCF1HTTKDM4EALDH1A1HPGD | |
| SCHEMBL11196105 | 0.82 | NCF1 (0.83) | NCF1HTTKDM4EALDH1A1HPGD | |
| SCHEMBL27780446 | 0.81 | NCF1 (0.48) | NCF1HTTKDM4EALDH1A1HPGD | |
| SCHEMBL5395459 | 0.81 | SIGMAR1 (0.53) | ALDH1A1POLBSIGMAR1 | |
| SCHEMBL4331617 | 0.81 | AGXT (0.55) | PRMT6SIGMAR1 | |
| SCHEMBL13959223 | 0.79 | NCF1 (0.69) | NCF1HTTKDM4EALDH1A1HPGD |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102046601-A | Benzene or thiophene derivative and use thereof as VAP-1 inhibitor | R TECH UENO LTD | 2011-05-04 | — | — | CN | disclosed |